Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03761"

PredicateValue (sorted: default)
rdfs:label
"5-Fluoro-2'-Deoxyuridine-5'-Monophosphate"
rdf:type
drugbank:drugs
drugbank:description
" experimental This compound belongs to the pyrimidine 2'-deoxyribonucleoside monophosphates. These are pyrimidine nucleotides with a monophosphate group linked to the ribose moiety lacking an hydroxyl group at position 2. Pyrimidine 2'-deoxyribonucleoside Monophosphates Organic Compounds Organooxygen Compounds Carbohydrates and Carbohydrate Conjugates Glycosyl Compounds Pentoses Halopyrimidines Pyrimidones Aryl Fluorides Hydropyrimidines Organic Phosphoric Acids Organophosphate Esters Tetrahydrofurans Oxolanes Secondary Alcohols Polyamines Ethers Organofluorides pentose monosaccharide pyrimidone halopyrimidine hydropyrimidine organic phosphate monosaccharide phosphoric acid ester aryl halide pyrimidine aryl fluoride tetrahydrofuran oxolane secondary alcohol ether polyamine amine alcohol organofluoride organonitrogen compound organohalogen logP -1.3 ALOGPS logS -1.8 ALOGPS Water Solubility 5.06e+00 g/l ALOGPS logP -1.4 ChemAxon IUPAC Name {[(2S,3R,5R)-5-(5-fluoro-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy}phosphonic acid ChemAxon Traditional IUPAC Name [(2S,3R,5R)-5-(5-fluoro-2,4-dioxo-3H-pyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxyphosphonic acid ChemAxon Molecular Weight 326.1723 ChemAxon Monoisotopic Weight 326.031530087 ChemAxon SMILES O[C@@H]1C[C@@H](O[C@H]1COP(O)(O)=O)N1C=C(F)C(=O)NC1=O ChemAxon Molecular Formula C9H12FN2O8P ChemAxon InChI InChI=1S/C9H12FN2O8P/c10-4-2-12(9(15)11-8(4)14)7-1-5(13)6(20-7)3-19-21(16,17)18/h2,5-7,13H,1,3H2,(H,11,14,15)(H2,16,17,18)/t5-,6+,7-/m1/s1 ChemAxon InChIKey InChIKey=HFEKDTCAMMOLQP-DSYKOEDSSA-N ChemAxon Polar Surface Area (PSA) 145.63 ChemAxon Refractivity 62.13 ChemAxon Polarizability 25.69 ChemAxon Rotatable Bond Count 4 ChemAxon H Bond Acceptor Count 7 ChemAxon H Bond Donor Count 4 ChemAxon pKa (strongest acidic) 1.23 ChemAxon pKa (strongest basic) -3.2 ChemAxon Physiological Charge -2 ChemAxon Number of Rings 2 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon PubChem Compound 46936787 PubChem Substance 46508904 PDB UFP BE0004794 Thymidylate synthase 1 Bacillus subtilis (strain 168) # Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/17139284 # Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/17016423 unknown Thymidylate synthase 1 Nucleotide transport and metabolism Provides the sole de novo source of dTMP for DNA biosynthesis thyA1 Cytoplasm None 5.79 32808.0 Bacillus subtilis (strain 168) GenBank Gene Database X78560 GenBank Protein Database 607048 UniProtKB P0CI79 UniProt Accession TYSY1_BACSU BE0001438 Thymidylate synthase Escherichia coli (strain K12) # Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/17139284 # Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/17016423 unknown Thymidylate synthase Nucleotide transport and metabolism Provides the sole de novo source of dTMP for DNA biosynthesis. This protein also binds to its mRNA thus repressing its own translation thyA Cytoplasm None 5.94 30480.0 Escherichia coli (strain K12) GenBank Gene Database J01710 GenBank Protein Database 147987 UniProtKB P0A884 UniProt Accession TYSY_ECOLI EC 2.1.1.45 TS TSase >Thymidylate synthase MKQYLELMQKVLDEGTQKNDRTGTGTLSIFGHQMRFNLQDGFPLVTTKRCHLRSIIHELL WFLQGDTNIAYLHENNVTIWDEWADENGDLGPVYGKQWRAWPTPDGRHIDQITTVLNQLK NDPDSRRIIVSAWNVGELDKMALAPCHAFFQFYVADGKLSCQLYQRSCDVFLGLPFNIAS YALLVHMMAQQCDLEVGDFVWTGGDTHLYSNHMDQTHLQLSREPRPLPKLIIKRKPESIF DYRFEDFEIEGYDPHPGIKAPVAI >795 bp ATGAAACAGTATTTAGAACTGATGCAAAAAGTGCTCGACGAAGGCACACAGAAAAACGAC CGTACCGGAACCGGAACGCTTTCCATTTTTGGTCATCAGATGCGTTTTAACCTGCAAGAT GGATTCCCGCTGGTGACAACTAAACGTTGCCACCTGCGTTCCATCATCCATGAACTGCTG TGGTTTCTGCAGGGCGACACTAACATTGCTTATCTACACGAAAACAATGTCACCATCTGG GACGAATGGGCCGATGAAAACGGCGACCTCGGGCCAGTGTATGGTAAACAGTGGCGCGCC TGGCCAACGCCAGATGGTCGTCATATTGACCAGATCACTACGGTACTGAACCAGCTGAAA AACGACCCGGATTCGCGCCGCATTATTGTTTCAGCGTGGAACGTAGGCGAACTGGATAAA ATGGCGCTGGCACCGTGCCATGCATTCTTCCAGTTCTATGTGGCAGACGGCAAACTCTCT TGCCAGCTTTATCAGCGCTCCTGTGACGTCTTCCTCGGCCTGCCGTTCAACATTGCCAGC TACGCGTTATTGGTGCATATGATGGCGCAGCAGTGCGATCTGGAAGTGGGTGATTTTGTC TGGACCGGTGGCGACACGCATCTGTACAGCAACCATATGGATCAAACTCATCTGCAATTA AGCCGCGAACCGCGTCCGCTGCCGAAGTTGATTATCAAACGTAAACCCGAATCCATCTTC GACTACCGTTTCGAAGACTTTGAGATTGAAGGCTACGATCCGCATCCGGGCATTAAAGCG CCGGTGGCTATCTAA PF00303 Thymidylat_synt function transferase activity function transferase activity, transferring one-carbon groups function methyltransferase activity function 5,10-methylenetetrahydrofolate-dependent methyltransferase activity function thymidylate synthase activity function catalytic activity process metabolism process pyrimidine nucleoside monophosphate biosynthesis process cellular metabolism process pyrimidine deoxyribonucleoside monophosphate biosynthesis process dTMP biosynthesis process nucleobase, nucleoside, nucleotide and nucleic acid metabolism process nucleotide metabolism process physiological process process pyrimidine nucleotide metabolism process pyrimidine nucleotide biosynthesis BE0001501 Thymidylate synthase Lactobacillus casei # Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/17139284 # Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/17016423 unknown Thymidylate synthase Nucleotide transport and metabolism Provides the sole de novo source of dTMP for DNA biosynthesis thyA Cytoplasm None 6.28 36580.0 Lactobacillus casei GenBank Gene Database M19653 GenBank Protein Database 149601 UniProtKB P00469 UniProt Accession TYSY_LACCA EC 2.1.1.45 TS TSase >Thymidylate synthase MLEQPYLDLAKKVLDEGHFKPDRTHTGTYSIFGHQMRFDLSKGFPLLTTKKVPFGLIKSE LLWFLHGDTNIRFLLQHRNHIWDEWAFEKWVKSDEYHGPDMTDFGHRSQKDPEFAAVYHE EMAKFDDRVLHDDAFAAKYGDLGLVYGSQWRAWHTSKGDTIDQLGDVIEQIKTHPYSRRL IVSAWNPEDVPTMALPPCHTLYQFYVNDGKLSLQLYQRSADIFLGVPFNIASYALLTHLV AHECGLEVGEFIHTFGDAHLYVNHLDQIKEQLSRTPRPAPTLQLNPDKHDIFDFDMKDIK LLNYDPYPAIKAPVAV >990 bp ATGTGTCGAGTAGTGAACGGTAAAGGAGCAGAGCAGACAATGTTAGAACAGCCATATCTT GATCTTGCAAAAAAAGTTCTGGATGAAGGCCATTTCAAGCCTGATCGGACCCATACAGGA ACTTACAGTATTTTCGGCCACCAAATGCGTTTCGACCTTAGCAAGGGCTTTCCATTACTG ACGACCAAAAAAGTACCATTCGGCCTTATTAAGAGTGAGTTGTTGTGGTTTTTACACGGT GATACCAACATTCGGTTCTTACTCCAACACAGGAATCACATTTGGGATGAGTGGGCGTTT GAAAAATGGGTGAAGAGTGATGAATATCACGGCCCGGACATGACTGATTTTGGGCATCGC AGCCAAAAGGATCCGGAATTCGCGGCAGTTTATCATGAAGAAATGGCTAAATTCGATGAC CGGGTGCTTCATGATGATGCTTTTGCAGCCAAATATGGTGATCTTGGCTTGGTTTATGGA TCCCAATGGCGGGCCTGGCATACGAGCAAGGGTGACACGATCGACCAGTTGGGGGACGTT ATTGAGCAAATCAAAACGCATCCCTATTCACGACGGCTCATCGTGTCGGCGTGGAATCCG GAAGATGTCCCGACAATGGCGCTACCGCCTTGTCACACGCTCTATCAGTTTTATGTCAAT GATGGCAAGCTGTCTTTGCAGTTGTACCAACGTTCGGCTGACATTTTTCTTGGCGTCCCG TTTAATATCGCGTCCTATGCGTTGTTAACGCATCTGGTCGCGCATGAATGTGGCCTTGAA GTTGGCGAATTCATTCATACATTCGGCGATGCGCATCTTTACGTCAATCATCTTGACCAA ATTAAAGAGCAGCTCAGTCGCACGCCGCGGCCGGCACCGACTTTACAGTTGAATCCGGAT AAACATGATATTTTCGACTTTGACATGAAGGATATTAAGTTGCTTAATTACGATCCTTAT CCGGCCATTAAGGCACCGGTTGCCGTTTAA PF00303 Thymidylat_synt function transferase activity, transferring one-carbon groups function methyltransferase activity function 5,10-methylenetetrahydrofolate-dependent methyltransferase activity function thymidylate synthase activity function catalytic activity function transferase activity process nucleobase, nucleoside, nucleotide and nucleic acid metabolism process nucleotide metabolism process physiological process process pyrimidine nucleotide metabolism process pyrimidine nucleotide biosynthesis process metabolism process pyrimidine nucleoside monophosphate biosynthesis process cellular metabolism process pyrimidine deoxyribonucleoside monophosphate biosynthesis process dTMP biosynthesis BE0001409 Thymidylate synthase ThyX Thermotoga maritima (strain ATCC 43589 / MSB8 / DSM 3109 / JCM 10099) # Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/17139284 # Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/17016423 unknown Thymidylate synthase ThyX Nucleotide transport and metabolism Catalyzes the formation of dTMP and tetrahydrofolate from dUMP and methylenetetrahydrofolate thyX None 8.38 26004.0 Thermotoga maritima (strain ATCC 43589 / MSB8 / DSM 3109 / JCM 10099) GenBank Gene Database AE000512 GenBank Protein Database 4980954 UniProtKB Q9WYT0 UniProt Accession THYX_THEMA EC 2.1.1.148 TS TSase >Thymidylate synthase thyX MKIDILDKGFVELVDVMGNDLSAVRAARVSFDMGLKDEERDRHLIEYLMKHGHETPFEHI VFTFHVKAPIFVARQWFRHRIASYNELSGRYSKLSYEFYIPSPERLEGYKTTIPPERVTE KISEIVDKAYRTYLELIESGVPREVARIVLPLNLYTRFFWTVNARSLMNFLNLRADSHAQ WEIQQYALAIARIFKEKCPWTFEAFLKYAYKGDILKEVQV >663 bp TCATACCTGTACCTCCTTCAGGATATCTCCTTTATAAGCATACTTAAGAAATGCCTCAAA AGTCCAGGGACACTTCTCTTTGAAAATTCTCGCGATTGCCAGAGCGTACTGTTGAATTTC CCACTGAGCGTGAGAATCTGCCCTCAGGTTCAAAAAGTTCATGAGACTTCTTGCGTTCAC AGTCCAGAAAAACCTCGTGTACAGATTCAAAGGGAGCACTATCCTTGCCACTTCTCGAGG AACACCGCTTTCTATCAACTCCAGATACGTTCGATACGCTTTATCGACTATTTCTGAGAT CTTCTCCGTCACCCGTTCGGGAGGGATGGTCGTTTTGTACCCTTCCAGGCGTTCGGGAGA GGGAATGTAGAATTCGTAGGAGAGCTTCGAGTATCTGCCGCTCAGTTCGTTGTAAGAAGC GATCCTGTGTCTGAACCACTGCCTCGCCACGAATATAGGGGCTTTCACGTGGAAAGTGAA GACAATATGTTCGAAAGGTGTCTCGTGACCGTGTTTCATGAGATATTCGATGAGATGTCT ATCCCTTTCTTCGTCTTTCAAACCCATATCGAAAGAAACGCGGGCAGCCCGTACAGCGGA GAGGTCGTTTCCCATCACATCCACAAGTTCAACGAATCCTTTGTCCAAGATATCGATCTT CAT PF02511 Thy1 "
owl:sameAs
drug:EXPT03176

All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt

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